pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.22	IUPAC digitized pKa	2	1	C[NH+]1CCO[C@H](CC[NH+](Cc2ccccc2)c2ccccc2)C1	C[NH+]1CCO[C@H](CCN(Cc2ccccc2)c2ccccc2)C1	mol5992	CN1CCOC(CCN(Cc2ccccc2)c2ccccc2)C1